SCHEMBL7815550

SCHEMBL7815550

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.47
SLC5A2 P31639 4/20 0.47
CYP19A1 P11511 7/20 0.42
DCTPP1 Q9H773 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
UCHL1 P09936 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7815445 0.88 SLC5A1 (0.50) SLC5A1SLC5A2CYP19A1DCTPP1SMN1; SMN2
SCHEMBL7826971 0.86 HPGD (0.42) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB
SCHEMBL7817432 0.86 DCTPP1 (0.42) SLC5A1SLC5A2DCTPP1POLBRXFP1
SCHEMBL7827659 0.85 SLC5A1 (0.43) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB
SCHEMBL7828627 0.83 SLC5A1 (0.44) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB
SCHEMBL7826196 0.83 SLC5A1 (0.43) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB
SCHEMBL5515342 0.83 SLC5A1 (0.45) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB
SCHEMBL7831857 0.83 SLC5A1 (0.43) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB
SCHEMBL7827410 0.81 CYP19A1 (0.43) SLC5A1SLC5A2CYP19A1DCTPP1SMN1; SMN2
SCHEMBL7823176 0.81 MAOB (0.41) SLC5A1SLC5A2CYP19A1SMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed